Geometry & MOs

Info

ID:

408505

PubChem CID:

135081271

Reduced:

NO2C13H24 (1)

Stoich.:

AB2C13D24 (1)

Weight, g/mol:

228.128032

ΔHf, kcal/mol:

-110.88

Dipole, Da:

1.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.898718

Charge, e:

 0

Chem-info

IUPAC name:

potassium;1,3-ditert-butylbenzene-5-ide

Drug info:

PubChemData

Smile

CC(C)CC([CH]C=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations